Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

HCID 39695

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Basic information

CAS: 50539-71-4
Standard SMILES: Cc1cc(C(C)(C)C)ccc1SCNC(=O)Oc1cccc2c1OC(C)(C)C2
InChIKey: ATLXYWVNKKEMCS-UHFFFAOYSA-N
Molecular formula: C23H29NO3S
Average molar mass: 399.5 g/mol
Monoisotopic mass: 399.18681496

Names & identifiers

Preferred name: Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-tert-butyl-2-methylphenyl)sulfanylmethyl]carbamate

Names & synonyms

50539-71-4Carbamic acid, ((4-(1,1-dimethylethyl)-2-methylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterDTXSID40198551RefChem:331684DTXCID001210422,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(4-tert-butyl-2-methylphenyl)sulfanyl]methyl}carbamate

Database identifiers

CAS: 50539-71-4
PubChem CID: 39695
DTXSID: DTXSID40198551

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 544

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